USER MOD reduce.3.24.130724 H: found=0, std=0, add=387, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 391 hydrogens (7 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 12 SER OG : rot -60:sc= 1.2 USER MOD Set 1.2: A 15 GLN : amide:sc= 1.07 X(o=2.3,f=2.1) USER MOD Set 2.1: A 5 GLN : amide:sc= 0.887 K(o=1.9,f=-0.39) USER MOD Set 2.2: A 19 TYR OH : rot 174:sc= 1.03 USER MOD Single : A 1 GLY N :NH3+ -178:sc= -0.412 (180deg=-0.466) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0.215 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.0142 K(o=-0.014,f=-1.2) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 1 PHE N :NH3+ 138:sc= 0.756 (180deg=0.298) USER MOD Single : B 3 ASN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : B 5 HIS : no HE2:sc= -0.0496 K(o=-0.05,f=-2.1) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HD1:sc= -0.45 X(o=-0.45,f=-0.45) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot -20:sc= 1.25 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.490 -2.275 -1.846 1.00 25.00 N ATOM 2 CA GLY A 1 3.439 -1.228 -1.558 1.00 25.00 C ATOM 3 C GLY A 1 2.784 -0.741 -2.825 1.00 25.00 C ATOM 4 O GLY A 1 1.832 0.039 -2.906 1.00 25.00 O ATOM 0 H1 GLY A 1 4.897 -2.613 -0.951 1.00 25.00 H new ATOM 0 H2 GLY A 1 4.056 -3.073 -2.352 1.00 25.00 H new ATOM 0 H3 GLY A 1 5.241 -1.860 -2.433 1.00 25.00 H new ATOM 0 HA2 GLY A 1 2.682 -1.644 -0.892 1.00 25.00 H new ATOM 0 HA3 GLY A 1 3.895 -0.387 -1.036 1.00 25.00 H new ATOM 9 N ILE A 2 3.295 -1.317 -3.914 1.00 25.00 N ATOM 10 CA ILE A 2 2.805 -1.083 -5.233 1.00 25.00 C ATOM 11 C ILE A 2 1.296 -1.265 -5.362 1.00 25.00 C ATOM 12 O ILE A 2 0.585 -0.376 -5.882 1.00 25.00 O ATOM 13 CB ILE A 2 3.430 -2.067 -6.262 1.00 25.00 C ATOM 14 CG1 ILE A 2 4.985 -2.060 -6.120 1.00 25.00 C ATOM 15 CG2 ILE A 2 2.995 -1.645 -7.740 1.00 25.00 C ATOM 16 CD1 ILE A 2 5.722 -2.977 -7.066 1.00 25.00 C ATOM 0 H ILE A 2 4.078 -1.970 -3.881 1.00 25.00 H new ATOM 0 HA ILE A 2 3.080 -0.048 -5.435 1.00 25.00 H new ATOM 0 HB ILE A 2 3.070 -3.077 -6.069 1.00 25.00 H new ATOM 0 HG12 ILE A 2 5.343 -1.042 -6.274 1.00 25.00 H new ATOM 0 HG13 ILE A 2 5.242 -2.337 -5.097 1.00 25.00 H new ATOM 0 HG21 ILE A 2 3.434 -2.336 -8.460 1.00 25.00 H new ATOM 0 HG22 ILE A 2 1.909 -1.677 -7.823 1.00 25.00 H new ATOM 0 HG23 ILE A 2 3.345 -0.634 -7.948 1.00 25.00 H new ATOM 0 HD11 ILE A 2 6.794 -2.899 -6.887 1.00 25.00 H new ATOM 0 HD12 ILE A 2 5.401 -4.005 -6.900 1.00 25.00 H new ATOM 0 HD13 ILE A 2 5.504 -2.690 -8.095 1.00 25.00 H new ATOM 28 N VAL A 3 0.795 -2.457 -5.042 1.00 25.00 N ATOM 29 CA VAL A 3 -0.640 -2.776 -5.295 1.00 25.00 C ATOM 30 C VAL A 3 -1.501 -1.875 -4.403 1.00 25.00 C ATOM 31 O VAL A 3 -2.521 -1.393 -4.821 1.00 25.00 O ATOM 32 CB VAL A 3 -0.940 -4.334 -5.082 1.00 25.00 C ATOM 33 CG1 VAL A 3 -0.606 -4.800 -3.653 1.00 25.00 C ATOM 34 CG2 VAL A 3 -2.344 -4.706 -5.446 1.00 25.00 C ATOM 0 H VAL A 3 1.333 -3.212 -4.617 1.00 25.00 H new ATOM 0 HA VAL A 3 -0.891 -2.574 -6.336 1.00 25.00 H new ATOM 0 HB VAL A 3 -0.276 -4.859 -5.769 1.00 25.00 H new ATOM 0 HG11 VAL A 3 -0.826 -5.863 -3.556 1.00 25.00 H new ATOM 0 HG12 VAL A 3 0.452 -4.628 -3.452 1.00 25.00 H new ATOM 0 HG13 VAL A 3 -1.207 -4.239 -2.937 1.00 25.00 H new ATOM 0 HG21 VAL A 3 -2.492 -5.773 -5.282 1.00 25.00 H new ATOM 0 HG22 VAL A 3 -3.042 -4.144 -4.826 1.00 25.00 H new ATOM 0 HG23 VAL A 3 -2.522 -4.472 -6.496 1.00 25.00 H new ATOM 44 N GLU A 4 -1.083 -1.677 -3.164 1.00 25.00 N ATOM 45 CA GLU A 4 -1.817 -0.855 -2.236 1.00 25.00 C ATOM 46 C GLU A 4 -1.993 0.583 -2.797 1.00 25.00 C ATOM 47 O GLU A 4 -3.108 1.074 -2.811 1.00 25.00 O ATOM 48 CB GLU A 4 -1.101 -0.822 -0.880 1.00 25.00 C ATOM 49 CG GLU A 4 -1.679 0.233 0.085 1.00 25.00 C ATOM 50 CD GLU A 4 -0.912 1.524 0.014 1.00 25.00 C ATOM 51 OE1 GLU A 4 0.268 1.600 0.226 1.00 25.00 O ATOM 52 OE2 GLU A 4 -1.642 2.552 -0.323 1.00 25.00 O ATOM 0 H GLU A 4 -0.229 -2.082 -2.781 1.00 25.00 H new ATOM 0 HA GLU A 4 -2.808 -1.287 -2.097 1.00 25.00 H new ATOM 0 HB2 GLU A 4 -1.169 -1.806 -0.416 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -0.042 -0.618 -1.040 1.00 25.00 H new ATOM 0 HG2 GLU A 4 -2.725 0.416 -0.159 1.00 25.00 H new ATOM 0 HG3 GLU A 4 -1.652 -0.152 1.105 1.00 25.00 H new ATOM 60 N GLN A 5 -0.923 1.206 -3.272 1.00 25.00 N ATOM 61 CA GLN A 5 -0.986 2.567 -3.825 1.00 25.00 C ATOM 62 C GLN A 5 -1.784 2.633 -5.124 1.00 25.00 C ATOM 63 O GLN A 5 -2.405 3.634 -5.426 1.00 25.00 O ATOM 64 CB GLN A 5 0.437 3.071 -4.140 1.00 25.00 C ATOM 65 CG GLN A 5 1.261 3.248 -2.864 1.00 25.00 C ATOM 66 CD GLN A 5 2.703 3.575 -3.137 1.00 25.00 C ATOM 67 OE1 GLN A 5 3.406 2.869 -3.841 1.00 25.00 O ATOM 68 NE2 GLN A 5 3.150 4.692 -2.618 1.00 25.00 N ATOM 0 H GLN A 5 0.009 0.793 -3.289 1.00 25.00 H new ATOM 0 HA GLN A 5 -1.477 3.183 -3.072 1.00 25.00 H new ATOM 0 HB2 GLN A 5 0.937 2.364 -4.803 1.00 25.00 H new ATOM 0 HB3 GLN A 5 0.379 4.020 -4.672 1.00 25.00 H new ATOM 0 HG2 GLN A 5 0.822 4.043 -2.262 1.00 25.00 H new ATOM 0 HG3 GLN A 5 1.207 2.334 -2.273 1.00 25.00 H new ATOM 0 HE21 GLN A 5 2.540 5.263 -2.033 1.00 25.00 H new ATOM 0 HE22 GLN A 5 4.108 4.991 -2.799 1.00 25.00 H new ATOM 77 N CYS A 6 -1.697 1.572 -5.925 1.00 25.00 N ATOM 78 CA CYS A 6 -2.412 1.561 -7.183 1.00 25.00 C ATOM 79 C CYS A 6 -3.928 1.299 -7.057 1.00 25.00 C ATOM 80 O CYS A 6 -4.720 1.947 -7.706 1.00 25.00 O ATOM 81 CB CYS A 6 -1.831 0.530 -8.104 1.00 25.00 C ATOM 82 SG CYS A 6 -2.635 0.522 -9.758 1.00 25.00 S ATOM 0 H CYS A 6 -1.152 0.733 -5.726 1.00 25.00 H new ATOM 0 HA CYS A 6 -2.293 2.568 -7.582 1.00 25.00 H new ATOM 0 HB2 CYS A 6 -0.764 0.716 -8.224 1.00 25.00 H new ATOM 0 HB3 CYS A 6 -1.933 -0.456 -7.650 1.00 25.00 H new ATOM 87 N CYS A 7 -4.355 0.393 -6.185 1.00 25.00 N ATOM 88 CA CYS A 7 -5.796 0.106 -6.006 1.00 25.00 C ATOM 89 C CYS A 7 -6.638 1.266 -5.513 1.00 25.00 C ATOM 90 O CYS A 7 -7.830 1.380 -5.868 1.00 25.00 O ATOM 91 CB CYS A 7 -5.982 -1.051 -5.001 1.00 25.00 C ATOM 92 SG CYS A 7 -5.221 -2.613 -5.571 1.00 25.00 S ATOM 0 H CYS A 7 -3.738 -0.159 -5.589 1.00 25.00 H new ATOM 0 HA CYS A 7 -6.145 -0.140 -7.009 1.00 25.00 H new ATOM 0 HB2 CYS A 7 -5.546 -0.768 -4.043 1.00 25.00 H new ATOM 0 HB3 CYS A 7 -7.047 -1.211 -4.831 1.00 25.00 H new ATOM 97 N THR A 8 -6.063 2.146 -4.681 1.00 25.00 N ATOM 98 CA THR A 8 -6.807 3.332 -4.184 1.00 25.00 C ATOM 99 C THR A 8 -6.747 4.446 -5.249 1.00 25.00 C ATOM 100 O THR A 8 -5.779 4.558 -5.967 1.00 25.00 O ATOM 101 CB THR A 8 -6.246 3.787 -2.795 1.00 25.00 C ATOM 102 OG1 THR A 8 -7.080 4.766 -2.199 1.00 25.00 O ATOM 103 CG2 THR A 8 -4.827 4.414 -2.925 1.00 25.00 C ATOM 0 H THR A 8 -5.105 2.070 -4.339 1.00 25.00 H new ATOM 0 HA THR A 8 -7.856 3.081 -4.023 1.00 25.00 H new ATOM 0 HB THR A 8 -6.207 2.889 -2.179 1.00 25.00 H new ATOM 0 HG1 THR A 8 -6.706 5.030 -1.332 1.00 25.00 H new ATOM 0 HG21 THR A 8 -4.472 4.717 -1.940 1.00 25.00 H new ATOM 0 HG22 THR A 8 -4.142 3.679 -3.348 1.00 25.00 H new ATOM 0 HG23 THR A 8 -4.873 5.285 -3.578 1.00 25.00 H new ATOM 111 N SER A 9 -7.848 5.181 -5.395 1.00 25.00 N ATOM 112 CA SER A 9 -8.075 6.093 -6.519 1.00 25.00 C ATOM 113 C SER A 9 -7.914 5.434 -7.898 1.00 25.00 C ATOM 114 O SER A 9 -7.757 4.245 -8.079 1.00 25.00 O ATOM 115 CB SER A 9 -7.205 7.335 -6.441 1.00 25.00 C ATOM 116 OG SER A 9 -7.854 8.465 -7.075 1.00 25.00 O ATOM 0 H SER A 9 -8.619 5.161 -4.728 1.00 25.00 H new ATOM 0 HA SER A 9 -9.120 6.386 -6.420 1.00 25.00 H new ATOM 0 HB2 SER A 9 -6.994 7.571 -5.398 1.00 25.00 H new ATOM 0 HB3 SER A 9 -6.247 7.143 -6.924 1.00 25.00 H new ATOM 0 HG SER A 9 -7.275 9.253 -7.010 1.00 25.00 H new ATOM 122 N ILE A 10 -8.031 6.265 -8.915 1.00 25.00 N ATOM 123 CA ILE A 10 -7.944 5.811 -10.323 1.00 25.00 C ATOM 124 C ILE A 10 -6.459 5.606 -10.660 1.00 25.00 C ATOM 125 O ILE A 10 -5.665 6.562 -10.529 1.00 25.00 O ATOM 126 CB ILE A 10 -8.565 6.861 -11.341 1.00 25.00 C ATOM 127 CG1 ILE A 10 -10.022 7.167 -10.978 1.00 25.00 C ATOM 128 CG2 ILE A 10 -8.413 6.361 -12.761 1.00 25.00 C ATOM 129 CD1 ILE A 10 -11.041 5.913 -11.261 1.00 25.00 C ATOM 0 H ILE A 10 -8.188 7.267 -8.810 1.00 25.00 H new ATOM 0 HA ILE A 10 -8.516 4.888 -10.423 1.00 25.00 H new ATOM 0 HB ILE A 10 -8.019 7.802 -11.269 1.00 25.00 H new ATOM 0 HG12 ILE A 10 -10.077 7.439 -9.924 1.00 25.00 H new ATOM 0 HG13 ILE A 10 -10.357 8.033 -11.549 1.00 25.00 H new ATOM 0 HG21 ILE A 10 -8.842 7.088 -13.451 1.00 25.00 H new ATOM 0 HG22 ILE A 10 -7.355 6.226 -12.988 1.00 25.00 H new ATOM 0 HG23 ILE A 10 -8.932 5.409 -12.869 1.00 25.00 H new ATOM 0 HD11 ILE A 10 -12.055 6.198 -10.982 1.00 25.00 H new ATOM 0 HD12 ILE A 10 -11.015 5.655 -12.320 1.00 25.00 H new ATOM 0 HD13 ILE A 10 -10.731 5.051 -10.670 1.00 25.00 H new ATOM 141 N CYS A 11 -6.084 4.414 -11.099 1.00 25.00 N ATOM 142 CA CYS A 11 -4.714 4.085 -11.464 1.00 25.00 C ATOM 143 C CYS A 11 -4.503 4.067 -13.017 1.00 25.00 C ATOM 144 O CYS A 11 -5.460 3.981 -13.796 1.00 25.00 O ATOM 145 CB CYS A 11 -4.362 2.694 -10.892 1.00 25.00 C ATOM 146 SG CYS A 11 -2.594 2.417 -10.549 1.00 25.00 S ATOM 0 H CYS A 11 -6.733 3.636 -11.214 1.00 25.00 H new ATOM 0 HA CYS A 11 -4.064 4.855 -11.049 1.00 25.00 H new ATOM 0 HB2 CYS A 11 -4.922 2.547 -9.968 1.00 25.00 H new ATOM 0 HB3 CYS A 11 -4.702 1.934 -11.595 1.00 25.00 H new ATOM 151 N SER A 12 -3.249 4.168 -13.440 1.00 25.00 N ATOM 152 CA SER A 12 -2.929 4.280 -14.870 1.00 25.00 C ATOM 153 C SER A 12 -1.580 3.628 -15.176 1.00 25.00 C ATOM 154 O SER A 12 -0.741 3.445 -14.288 1.00 25.00 O ATOM 155 CB SER A 12 -2.792 5.744 -15.313 1.00 25.00 C ATOM 156 OG SER A 12 -1.754 6.454 -14.593 1.00 25.00 O ATOM 0 H SER A 12 -2.437 4.175 -12.823 1.00 25.00 H new ATOM 0 HA SER A 12 -3.748 3.790 -15.397 1.00 25.00 H new ATOM 0 HB2 SER A 12 -2.575 5.777 -16.381 1.00 25.00 H new ATOM 0 HB3 SER A 12 -3.744 6.254 -15.166 1.00 25.00 H new ATOM 0 HG SER A 12 -1.961 6.453 -13.635 1.00 25.00 H new ATOM 162 N LEU A 13 -1.395 3.257 -16.449 1.00 25.00 N ATOM 163 CA LEU A 13 -0.151 2.713 -17.000 1.00 25.00 C ATOM 164 C LEU A 13 0.960 3.711 -16.805 1.00 25.00 C ATOM 165 O LEU A 13 2.207 3.394 -16.548 1.00 25.00 O ATOM 166 CB LEU A 13 -0.264 2.331 -18.490 1.00 25.00 C ATOM 167 CG LEU A 13 -1.144 1.075 -18.752 1.00 25.00 C ATOM 168 CD1 LEU A 13 -1.258 0.924 -20.275 1.00 25.00 C ATOM 169 CD2 LEU A 13 -0.508 -0.237 -18.153 1.00 25.00 C ATOM 0 H LEU A 13 -2.135 3.331 -17.147 1.00 25.00 H new ATOM 0 HA LEU A 13 0.065 1.791 -16.460 1.00 25.00 H new ATOM 0 HB2 LEU A 13 -0.679 3.175 -19.041 1.00 25.00 H new ATOM 0 HB3 LEU A 13 0.736 2.152 -18.886 1.00 25.00 H new ATOM 0 HG LEU A 13 -2.113 1.209 -18.271 1.00 25.00 H new ATOM 0 HD11 LEU A 13 -1.869 0.052 -20.509 1.00 25.00 H new ATOM 0 HD12 LEU A 13 -1.722 1.816 -20.695 1.00 25.00 H new ATOM 0 HD13 LEU A 13 -0.264 0.796 -20.703 1.00 25.00 H new ATOM 0 HD21 LEU A 13 -1.160 -1.085 -18.362 1.00 25.00 H new ATOM 0 HD22 LEU A 13 0.468 -0.408 -18.607 1.00 25.00 H new ATOM 0 HD23 LEU A 13 -0.392 -0.126 -17.075 1.00 25.00 H new ATOM 181 N TYR A 14 0.652 5.056 -16.857 1.00 25.00 N ATOM 182 CA TYR A 14 1.633 6.073 -16.582 1.00 25.00 C ATOM 183 C TYR A 14 2.217 6.001 -15.176 1.00 25.00 C ATOM 184 O TYR A 14 3.403 6.162 -14.940 1.00 25.00 O ATOM 185 CB TYR A 14 1.050 7.405 -16.900 1.00 25.00 C ATOM 186 CG TYR A 14 2.016 8.494 -16.466 1.00 25.00 C ATOM 187 CD1 TYR A 14 3.162 8.764 -17.197 1.00 25.00 C ATOM 188 CD2 TYR A 14 1.750 9.180 -15.309 1.00 25.00 C ATOM 189 CE1 TYR A 14 4.045 9.715 -16.847 1.00 25.00 C ATOM 190 CE2 TYR A 14 2.659 10.266 -14.800 1.00 25.00 C ATOM 191 CZ TYR A 14 3.870 10.475 -15.730 1.00 25.00 C ATOM 192 OH TYR A 14 4.702 11.400 -15.364 1.00 25.00 O ATOM 0 H TYR A 14 -0.273 5.418 -17.089 1.00 25.00 H new ATOM 0 HA TYR A 14 2.493 5.897 -17.228 1.00 25.00 H new ATOM 0 HB2 TYR A 14 0.854 7.483 -17.969 1.00 25.00 H new ATOM 0 HB3 TYR A 14 0.094 7.527 -16.391 1.00 25.00 H new ATOM 0 HD1 TYR A 14 3.354 8.184 -18.088 1.00 25.00 H new ATOM 0 HD2 TYR A 14 0.862 8.934 -14.746 1.00 25.00 H new ATOM 0 HE1 TYR A 14 4.914 9.881 -17.466 1.00 25.00 H new ATOM 0 HE2 TYR A 14 2.484 10.829 -13.895 1.00 25.00 H new ATOM 0 HH TYR A 14 4.382 11.819 -14.538 1.00 25.00 H new ATOM 202 N GLN A 15 1.379 5.640 -14.170 1.00 25.00 N ATOM 203 CA GLN A 15 1.858 5.417 -12.783 1.00 25.00 C ATOM 204 C GLN A 15 2.562 4.089 -12.650 1.00 25.00 C ATOM 205 O GLN A 15 3.595 4.013 -11.983 1.00 25.00 O ATOM 206 CB GLN A 15 0.693 5.489 -11.825 1.00 25.00 C ATOM 207 CG GLN A 15 0.063 6.816 -11.755 1.00 25.00 C ATOM 208 CD GLN A 15 -1.305 6.765 -11.163 1.00 25.00 C ATOM 209 OE1 GLN A 15 -2.276 6.738 -11.914 1.00 25.00 O ATOM 210 NE2 GLN A 15 -1.408 6.760 -9.874 1.00 25.00 N ATOM 0 H GLN A 15 0.376 5.498 -14.293 1.00 25.00 H new ATOM 0 HA GLN A 15 2.577 6.199 -12.540 1.00 25.00 H new ATOM 0 HB2 GLN A 15 -0.057 4.756 -12.124 1.00 25.00 H new ATOM 0 HB3 GLN A 15 1.035 5.207 -10.829 1.00 25.00 H new ATOM 0 HG2 GLN A 15 0.689 7.481 -11.160 1.00 25.00 H new ATOM 0 HG3 GLN A 15 0.007 7.242 -12.757 1.00 25.00 H new ATOM 0 HE21 GLN A 15 -0.568 6.783 -9.295 1.00 25.00 H new ATOM 0 HE22 GLN A 15 -2.329 6.733 -9.436 1.00 25.00 H new ATOM 219 N LEU A 16 2.088 3.081 -13.325 1.00 25.00 N ATOM 220 CA LEU A 16 2.731 1.746 -13.259 1.00 25.00 C ATOM 221 C LEU A 16 4.158 1.780 -13.747 1.00 25.00 C ATOM 222 O LEU A 16 5.030 1.208 -13.105 1.00 25.00 O ATOM 223 CB LEU A 16 1.927 0.737 -14.091 1.00 25.00 C ATOM 224 CG LEU A 16 1.033 -0.227 -13.288 1.00 25.00 C ATOM 225 CD1 LEU A 16 -0.024 0.575 -12.452 1.00 25.00 C ATOM 226 CD2 LEU A 16 0.258 -1.219 -14.156 1.00 25.00 C ATOM 0 H LEU A 16 1.268 3.130 -13.929 1.00 25.00 H new ATOM 0 HA LEU A 16 2.744 1.441 -12.213 1.00 25.00 H new ATOM 0 HB2 LEU A 16 1.299 1.289 -14.790 1.00 25.00 H new ATOM 0 HB3 LEU A 16 2.624 0.147 -14.686 1.00 25.00 H new ATOM 0 HG LEU A 16 1.720 -0.786 -12.652 1.00 25.00 H new ATOM 0 HD11 LEU A 16 -0.648 -0.121 -11.891 1.00 25.00 H new ATOM 0 HD12 LEU A 16 0.490 1.242 -11.760 1.00 25.00 H new ATOM 0 HD13 LEU A 16 -0.650 1.162 -13.124 1.00 25.00 H new ATOM 0 HD21 LEU A 16 -0.348 -1.863 -13.519 1.00 25.00 H new ATOM 0 HD22 LEU A 16 -0.390 -0.673 -14.842 1.00 25.00 H new ATOM 0 HD23 LEU A 16 0.959 -1.828 -14.726 1.00 25.00 H new ATOM 238 N GLU A 17 4.413 2.591 -14.745 1.00 25.00 N ATOM 239 CA GLU A 17 5.792 2.841 -15.158 1.00 25.00 C ATOM 240 C GLU A 17 6.709 3.438 -14.123 1.00 25.00 C ATOM 241 O GLU A 17 7.906 3.277 -14.200 1.00 25.00 O ATOM 242 CB GLU A 17 5.817 3.695 -16.432 1.00 25.00 C ATOM 243 CG GLU A 17 5.659 2.898 -17.670 1.00 25.00 C ATOM 244 CD GLU A 17 6.971 2.308 -18.134 1.00 25.00 C ATOM 245 OE1 GLU A 17 7.691 2.855 -18.886 1.00 25.00 O ATOM 246 OE2 GLU A 17 7.226 1.178 -17.616 1.00 25.00 O ATOM 0 H GLU A 17 3.704 3.087 -15.285 1.00 25.00 H new ATOM 0 HA GLU A 17 6.198 1.845 -15.335 1.00 25.00 H new ATOM 0 HB2 GLU A 17 5.020 4.437 -16.381 1.00 25.00 H new ATOM 0 HB3 GLU A 17 6.759 4.242 -16.477 1.00 25.00 H new ATOM 0 HG2 GLU A 17 4.942 2.096 -17.496 1.00 25.00 H new ATOM 0 HG3 GLU A 17 5.246 3.529 -18.457 1.00 25.00 H new ATOM 254 N ASN A 18 6.155 4.107 -13.098 1.00 25.00 N ATOM 255 CA ASN A 18 7.027 4.655 -12.022 1.00 25.00 C ATOM 256 C ASN A 18 7.574 3.572 -11.119 1.00 25.00 C ATOM 257 O ASN A 18 8.486 3.822 -10.339 1.00 25.00 O ATOM 258 CB ASN A 18 6.292 5.654 -11.141 1.00 25.00 C ATOM 259 CG ASN A 18 5.920 6.908 -11.874 1.00 25.00 C ATOM 260 OD1 ASN A 18 6.553 7.267 -12.863 1.00 25.00 O ATOM 261 ND2 ASN A 18 4.877 7.542 -11.451 1.00 25.00 N ATOM 0 H ASN A 18 5.157 4.281 -12.984 1.00 25.00 H new ATOM 0 HA ASN A 18 7.845 5.149 -12.547 1.00 25.00 H new ATOM 0 HB2 ASN A 18 5.390 5.188 -10.745 1.00 25.00 H new ATOM 0 HB3 ASN A 18 6.919 5.910 -10.287 1.00 25.00 H new ATOM 0 HD21 ASN A 18 4.551 8.374 -11.943 1.00 25.00 H new ATOM 0 HD22 ASN A 18 4.379 7.211 -10.625 1.00 25.00 H new ATOM 268 N TYR A 19 7.051 2.343 -11.211 1.00 25.00 N ATOM 269 CA TYR A 19 7.609 1.224 -10.480 1.00 25.00 C ATOM 270 C TYR A 19 8.532 0.397 -11.364 1.00 25.00 C ATOM 271 O TYR A 19 9.031 -0.664 -10.923 1.00 25.00 O ATOM 272 CB TYR A 19 6.503 0.315 -9.936 1.00 25.00 C ATOM 273 CG TYR A 19 5.517 1.051 -9.064 1.00 25.00 C ATOM 274 CD1 TYR A 19 4.381 1.696 -9.601 1.00 25.00 C ATOM 275 CD2 TYR A 19 5.716 1.152 -7.659 1.00 25.00 C ATOM 276 CE1 TYR A 19 3.449 2.390 -8.764 1.00 25.00 C ATOM 277 CE2 TYR A 19 4.800 1.831 -6.835 1.00 25.00 C ATOM 278 CZ TYR A 19 3.704 2.451 -7.373 1.00 25.00 C ATOM 279 OH TYR A 19 2.839 3.168 -6.582 1.00 25.00 O ATOM 0 H TYR A 19 6.242 2.109 -11.787 1.00 25.00 H new ATOM 0 HA TYR A 19 8.179 1.639 -9.649 1.00 25.00 H new ATOM 0 HB2 TYR A 19 5.972 -0.143 -10.771 1.00 25.00 H new ATOM 0 HB3 TYR A 19 6.954 -0.495 -9.363 1.00 25.00 H new ATOM 0 HD1 TYR A 19 4.211 1.665 -10.667 1.00 25.00 H new ATOM 0 HD2 TYR A 19 6.589 0.697 -7.215 1.00 25.00 H new ATOM 0 HE1 TYR A 19 2.571 2.857 -9.185 1.00 25.00 H new ATOM 0 HE2 TYR A 19 4.963 1.864 -5.768 1.00 25.00 H new ATOM 0 HH TYR A 19 3.081 3.048 -5.640 1.00 25.00 H new ATOM 289 N CYS A 20 8.751 0.825 -12.594 1.00 25.00 N ATOM 290 CA CYS A 20 9.623 0.140 -13.545 1.00 25.00 C ATOM 291 C CYS A 20 10.908 0.951 -13.624 1.00 25.00 C ATOM 292 O CYS A 20 11.034 1.987 -13.042 1.00 25.00 O ATOM 293 CB CYS A 20 8.932 0.040 -14.918 1.00 25.00 C ATOM 294 SG CYS A 20 7.594 -1.199 -14.896 1.00 25.00 S ATOM 0 H CYS A 20 8.324 1.671 -12.971 1.00 25.00 H new ATOM 0 HA CYS A 20 9.842 -0.879 -13.227 1.00 25.00 H new ATOM 0 HB2 CYS A 20 8.526 1.013 -15.195 1.00 25.00 H new ATOM 0 HB3 CYS A 20 9.666 -0.227 -15.678 1.00 25.00 H new ATOM 299 N ASN A 21 11.920 0.496 -14.405 1.00 25.00 N ATOM 300 CA ASN A 21 13.108 1.333 -14.608 1.00 25.00 C ATOM 301 C ASN A 21 12.962 2.462 -15.637 1.00 25.00 C ATOM 302 O ASN A 21 12.746 2.260 -16.804 1.00 25.00 O ATOM 303 CB ASN A 21 14.310 0.442 -14.962 1.00 25.00 C ATOM 304 CG ASN A 21 15.518 1.223 -15.402 1.00 25.00 C ATOM 305 OD1 ASN A 21 16.006 2.076 -14.703 1.00 25.00 O ATOM 306 ND2 ASN A 21 16.012 0.960 -16.613 1.00 25.00 N ATOM 307 OXT ASN A 21 13.142 3.661 -15.157 1.00 25.00 O ATOM 0 H ASN A 21 11.933 -0.406 -14.881 1.00 25.00 H new ATOM 0 HA ASN A 21 13.261 1.848 -13.660 1.00 25.00 H new ATOM 0 HB2 ASN A 21 14.573 -0.163 -14.095 1.00 25.00 H new ATOM 0 HB3 ASN A 21 14.022 -0.247 -15.756 1.00 25.00 H new ATOM 0 HD21 ASN A 21 16.815 1.484 -16.961 1.00 25.00 H new ATOM 0 HD22 ASN A 21 15.587 0.235 -17.191 1.00 25.00 H new TER 315 ASN A 21 ATOM 316 N PHE B 1 -6.420 -3.331 -20.685 1.00 25.00 N ATOM 317 CA PHE B 1 -6.107 -2.063 -19.999 1.00 25.00 C ATOM 318 C PHE B 1 -7.284 -1.074 -19.823 1.00 25.00 C ATOM 319 O PHE B 1 -7.899 -0.629 -20.787 1.00 25.00 O ATOM 320 CB PHE B 1 -5.013 -1.361 -20.773 1.00 25.00 C ATOM 321 CG PHE B 1 -3.847 -2.283 -21.140 1.00 25.00 C ATOM 322 CD1 PHE B 1 -2.973 -2.750 -20.138 1.00 25.00 C ATOM 323 CD2 PHE B 1 -3.691 -2.716 -22.476 1.00 25.00 C ATOM 324 CE1 PHE B 1 -1.915 -3.611 -20.496 1.00 25.00 C ATOM 325 CE2 PHE B 1 -2.646 -3.547 -22.828 1.00 25.00 C ATOM 326 CZ PHE B 1 -1.737 -3.977 -21.835 1.00 25.00 C ATOM 0 H1 PHE B 1 -5.655 -3.564 -21.349 1.00 25.00 H new ATOM 0 H2 PHE B 1 -6.513 -4.092 -19.982 1.00 25.00 H new ATOM 0 H3 PHE B 1 -7.314 -3.232 -21.208 1.00 25.00 H new ATOM 0 HA PHE B 1 -5.815 -2.348 -18.988 1.00 25.00 H new ATOM 0 HB2 PHE B 1 -5.435 -0.939 -21.685 1.00 25.00 H new ATOM 0 HB3 PHE B 1 -4.636 -0.527 -20.181 1.00 25.00 H new ATOM 0 HD1 PHE B 1 -3.112 -2.452 -19.109 1.00 25.00 H new ATOM 0 HD2 PHE B 1 -4.396 -2.394 -23.229 1.00 25.00 H new ATOM 0 HE1 PHE B 1 -1.243 -3.987 -19.738 1.00 25.00 H new ATOM 0 HE2 PHE B 1 -2.524 -3.865 -23.853 1.00 25.00 H new ATOM 0 HZ PHE B 1 -0.896 -4.595 -22.113 1.00 25.00 H new ATOM 337 N VAL B 2 -7.562 -0.768 -18.553 1.00 25.00 N ATOM 338 CA VAL B 2 -8.626 0.177 -18.287 1.00 25.00 C ATOM 339 C VAL B 2 -8.032 1.185 -17.268 1.00 25.00 C ATOM 340 O VAL B 2 -7.146 0.822 -16.515 1.00 25.00 O ATOM 341 CB VAL B 2 -9.908 -0.629 -17.827 1.00 25.00 C ATOM 342 CG1 VAL B 2 -9.631 -1.336 -16.498 1.00 25.00 C ATOM 343 CG2 VAL B 2 -11.142 0.274 -17.741 1.00 25.00 C ATOM 0 H VAL B 2 -7.085 -1.145 -17.734 1.00 25.00 H new ATOM 0 HA VAL B 2 -8.972 0.753 -19.145 1.00 25.00 H new ATOM 0 HB VAL B 2 -10.128 -1.386 -18.580 1.00 25.00 H new ATOM 0 HG11 VAL B 2 -10.518 -1.889 -16.188 1.00 25.00 H new ATOM 0 HG12 VAL B 2 -8.797 -2.027 -16.621 1.00 25.00 H new ATOM 0 HG13 VAL B 2 -9.380 -0.596 -15.738 1.00 25.00 H new ATOM 0 HG21 VAL B 2 -12.002 -0.315 -17.422 1.00 25.00 H new ATOM 0 HG22 VAL B 2 -10.960 1.071 -17.020 1.00 25.00 H new ATOM 0 HG23 VAL B 2 -11.343 0.710 -18.720 1.00 25.00 H new ATOM 353 N ASN B 3 -8.460 2.448 -17.359 1.00 25.00 N ATOM 354 CA ASN B 3 -7.943 3.518 -16.518 1.00 25.00 C ATOM 355 C ASN B 3 -8.828 3.601 -15.283 1.00 25.00 C ATOM 356 O ASN B 3 -9.750 4.463 -15.197 1.00 25.00 O ATOM 357 CB ASN B 3 -7.913 4.841 -17.321 1.00 25.00 C ATOM 358 CG ASN B 3 -6.967 5.845 -16.706 1.00 25.00 C ATOM 359 OD1 ASN B 3 -5.739 5.707 -16.787 1.00 25.00 O ATOM 360 ND2 ASN B 3 -7.521 6.879 -16.120 1.00 25.00 N ATOM 0 H ASN B 3 -9.175 2.752 -18.020 1.00 25.00 H new ATOM 0 HA ASN B 3 -6.919 3.323 -16.200 1.00 25.00 H new ATOM 0 HB2 ASN B 3 -7.610 4.637 -18.348 1.00 25.00 H new ATOM 0 HB3 ASN B 3 -8.917 5.264 -17.363 1.00 25.00 H new ATOM 0 HD21 ASN B 3 -6.936 7.607 -15.710 1.00 25.00 H new ATOM 0 HD22 ASN B 3 -8.537 6.955 -16.074 1.00 25.00 H new ATOM 367 N GLN B 4 -8.643 2.642 -14.394 1.00 25.00 N ATOM 368 CA GLN B 4 -9.534 2.469 -13.261 1.00 25.00 C ATOM 369 C GLN B 4 -8.763 2.014 -12.012 1.00 25.00 C ATOM 370 O GLN B 4 -7.533 2.143 -11.963 1.00 25.00 O ATOM 371 CB GLN B 4 -10.661 1.512 -13.660 1.00 25.00 C ATOM 372 CG GLN B 4 -12.105 2.028 -13.364 1.00 25.00 C ATOM 373 CD GLN B 4 -12.663 2.969 -14.496 1.00 25.00 C ATOM 374 OE1 GLN B 4 -12.740 2.600 -15.650 1.00 25.00 O ATOM 375 NE2 GLN B 4 -13.067 4.162 -14.139 1.00 25.00 N ATOM 0 H GLN B 4 -7.879 1.967 -14.435 1.00 25.00 H new ATOM 0 HA GLN B 4 -9.986 3.423 -12.989 1.00 25.00 H new ATOM 0 HB2 GLN B 4 -10.578 1.303 -14.727 1.00 25.00 H new ATOM 0 HB3 GLN B 4 -10.516 0.566 -13.138 1.00 25.00 H new ATOM 0 HG2 GLN B 4 -12.773 1.175 -13.245 1.00 25.00 H new ATOM 0 HG3 GLN B 4 -12.106 2.567 -12.417 1.00 25.00 H new ATOM 0 HE21 GLN B 4 -12.994 4.455 -13.165 1.00 25.00 H new ATOM 0 HE22 GLN B 4 -13.454 4.799 -14.835 1.00 25.00 H new ATOM 384 N HIS B 5 -9.449 1.510 -11.041 1.00 25.00 N ATOM 385 CA HIS B 5 -8.823 0.936 -9.870 1.00 25.00 C ATOM 386 C HIS B 5 -8.194 -0.398 -10.263 1.00 25.00 C ATOM 387 O HIS B 5 -8.803 -1.457 -10.104 1.00 25.00 O ATOM 388 CB HIS B 5 -9.878 0.683 -8.788 1.00 25.00 C ATOM 389 CG HIS B 5 -10.567 1.905 -8.287 1.00 25.00 C ATOM 390 ND1 HIS B 5 -9.997 2.786 -7.363 1.00 25.00 N ATOM 391 CD2 HIS B 5 -11.810 2.398 -8.489 1.00 25.00 C ATOM 392 CE1 HIS B 5 -10.883 3.735 -7.080 1.00 25.00 C ATOM 393 NE2 HIS B 5 -11.964 3.527 -7.766 1.00 25.00 N ATOM 0 H HIS B 5 -10.468 1.479 -11.026 1.00 25.00 H new ATOM 0 HA HIS B 5 -8.067 1.621 -9.485 1.00 25.00 H new ATOM 0 HB2 HIS B 5 -10.627 -0.002 -9.185 1.00 25.00 H new ATOM 0 HB3 HIS B 5 -9.401 0.181 -7.946 1.00 25.00 H new ATOM 0 HD1 HIS B 5 -9.058 2.713 -6.972 1.00 25.00 H new ATOM 0 HD2 HIS B 5 -12.561 1.958 -9.128 1.00 25.00 H new ATOM 0 HE1 HIS B 5 -10.728 4.550 -6.389 1.00 25.00 H new ATOM 402 N LEU B 6 -6.997 -0.362 -10.825 1.00 25.00 N ATOM 403 CA LEU B 6 -6.306 -1.560 -11.193 1.00 25.00 C ATOM 404 C LEU B 6 -5.885 -2.224 -9.883 1.00 25.00 C ATOM 405 O LEU B 6 -5.233 -1.625 -9.045 1.00 25.00 O ATOM 406 CB LEU B 6 -5.067 -1.217 -12.081 1.00 25.00 C ATOM 407 CG LEU B 6 -5.449 -0.647 -13.444 1.00 25.00 C ATOM 408 CD1 LEU B 6 -4.194 -0.022 -14.128 1.00 25.00 C ATOM 409 CD2 LEU B 6 -6.064 -1.676 -14.403 1.00 25.00 C ATOM 0 H LEU B 6 -6.490 0.498 -11.033 1.00 25.00 H new ATOM 0 HA LEU B 6 -6.936 -2.229 -11.780 1.00 25.00 H new ATOM 0 HB2 LEU B 6 -4.439 -0.498 -11.556 1.00 25.00 H new ATOM 0 HB3 LEU B 6 -4.469 -2.117 -12.224 1.00 25.00 H new ATOM 0 HG LEU B 6 -6.213 0.104 -13.245 1.00 25.00 H new ATOM 0 HD11 LEU B 6 -4.474 0.383 -15.101 1.00 25.00 H new ATOM 0 HD12 LEU B 6 -3.799 0.778 -13.502 1.00 25.00 H new ATOM 0 HD13 LEU B 6 -3.432 -0.790 -14.260 1.00 25.00 H new ATOM 0 HD21 LEU B 6 -6.308 -1.192 -15.349 1.00 25.00 H new ATOM 0 HD22 LEU B 6 -5.350 -2.480 -14.580 1.00 25.00 H new ATOM 0 HD23 LEU B 6 -6.972 -2.088 -13.962 1.00 25.00 H new ATOM 421 N CYS B 7 -6.306 -3.459 -9.686 1.00 25.00 N ATOM 422 CA CYS B 7 -6.021 -4.199 -8.439 1.00 25.00 C ATOM 423 C CYS B 7 -5.748 -5.685 -8.638 1.00 25.00 C ATOM 424 O CYS B 7 -5.864 -6.235 -9.760 1.00 25.00 O ATOM 425 CB CYS B 7 -7.196 -4.006 -7.471 1.00 25.00 C ATOM 426 SG CYS B 7 -6.676 -3.995 -5.715 1.00 25.00 S ATOM 0 H CYS B 7 -6.851 -3.986 -10.369 1.00 25.00 H new ATOM 0 HA CYS B 7 -5.098 -3.786 -8.032 1.00 25.00 H new ATOM 0 HB2 CYS B 7 -7.700 -3.067 -7.702 1.00 25.00 H new ATOM 0 HB3 CYS B 7 -7.922 -4.804 -7.625 1.00 25.00 H new HETATM 431 N AIB B 8 -5.391 -6.396 -7.537 1.00 25.00 N HETATM 432 CA AIB B 8 -5.139 -7.857 -7.427 1.00 25.00 C HETATM 433 C AIB B 8 -4.193 -8.381 -8.590 1.00 25.00 C HETATM 434 O AIB B 8 -3.275 -7.690 -9.025 1.00 25.00 O HETATM 435 CB1 AIB B 8 -6.549 -8.548 -7.363 1.00 25.00 C HETATM 436 CB2 AIB B 8 -4.394 -8.158 -6.086 1.00 25.00 C HETATM 0 H AIB B 8 -5.263 -5.930 -6.639 1.00 25.00 H new HETATM 0 HB11 AIB B 8 -6.422 -9.627 -7.281 1.00 25.00 H new HETATM 0 HB12 AIB B 8 -7.095 -8.180 -6.494 1.00 25.00 H new HETATM 0 HB13 AIB B 8 -7.109 -8.316 -8.269 1.00 25.00 H new HETATM 0 HB21 AIB B 8 -4.209 -9.229 -6.005 1.00 25.00 H new HETATM 0 HB22 AIB B 8 -3.444 -7.624 -6.070 1.00 25.00 H new HETATM 0 HB23 AIB B 8 -5.009 -7.831 -5.247 1.00 25.00 H new ATOM 444 N SER B 9 -4.457 -9.599 -9.104 1.00 25.00 N ATOM 445 CA SER B 9 -3.623 -10.211 -10.165 1.00 25.00 C ATOM 446 C SER B 9 -3.627 -9.325 -11.413 1.00 25.00 C ATOM 447 O SER B 9 -2.657 -9.220 -12.138 1.00 25.00 O ATOM 448 CB SER B 9 -4.154 -11.627 -10.419 1.00 25.00 C ATOM 449 OG SER B 9 -3.542 -12.242 -11.533 1.00 25.00 O ATOM 0 H SER B 9 -5.240 -10.180 -8.804 1.00 25.00 H new ATOM 0 HA SER B 9 -2.579 -10.289 -9.862 1.00 25.00 H new ATOM 0 HB2 SER B 9 -3.986 -12.239 -9.533 1.00 25.00 H new ATOM 0 HB3 SER B 9 -5.232 -11.584 -10.578 1.00 25.00 H new ATOM 0 HG SER B 9 -3.911 -13.142 -11.654 1.00 25.00 H new ATOM 455 N HIS B 10 -4.750 -8.639 -11.679 1.00 25.00 N ATOM 456 CA HIS B 10 -4.806 -7.769 -12.853 1.00 25.00 C ATOM 457 C HIS B 10 -3.811 -6.589 -12.801 1.00 25.00 C ATOM 458 O HIS B 10 -3.183 -6.247 -13.825 1.00 25.00 O ATOM 459 CB HIS B 10 -6.247 -7.260 -13.018 1.00 25.00 C ATOM 460 CG HIS B 10 -7.274 -8.104 -12.299 1.00 25.00 C ATOM 461 ND1 HIS B 10 -7.652 -9.398 -12.690 1.00 25.00 N ATOM 462 CD2 HIS B 10 -8.088 -7.826 -11.254 1.00 25.00 C ATOM 463 CE1 HIS B 10 -8.636 -9.807 -11.879 1.00 25.00 C ATOM 464 NE2 HIS B 10 -8.877 -8.889 -11.007 1.00 25.00 N ATOM 0 H HIS B 10 -5.601 -8.669 -11.117 1.00 25.00 H new ATOM 0 HA HIS B 10 -4.504 -8.361 -13.717 1.00 25.00 H new ATOM 0 HB2 HIS B 10 -6.306 -6.237 -12.647 1.00 25.00 H new ATOM 0 HB3 HIS B 10 -6.493 -7.229 -14.079 1.00 25.00 H new ATOM 0 HD2 HIS B 10 -8.102 -6.897 -10.704 1.00 25.00 H new ATOM 0 HE1 HIS B 10 -9.147 -10.756 -11.945 1.00 25.00 H new ATOM 0 HE2 HIS B 10 -9.557 -8.957 -10.250 1.00 25.00 H new ATOM 473 N LEU B 11 -3.520 -6.085 -11.611 1.00 25.00 N ATOM 474 CA LEU B 11 -2.450 -5.097 -11.485 1.00 25.00 C ATOM 475 C LEU B 11 -1.111 -5.725 -11.808 1.00 25.00 C ATOM 476 O LEU B 11 -0.276 -5.131 -12.478 1.00 25.00 O ATOM 477 CB LEU B 11 -2.469 -4.573 -10.004 1.00 25.00 C ATOM 478 CG LEU B 11 -1.480 -3.483 -9.566 1.00 25.00 C ATOM 479 CD1 LEU B 11 -0.109 -4.087 -9.158 1.00 25.00 C ATOM 480 CD2 LEU B 11 -1.305 -2.416 -10.571 1.00 25.00 C ATOM 0 H LEU B 11 -3.991 -6.332 -10.741 1.00 25.00 H new ATOM 0 HA LEU B 11 -2.603 -4.274 -12.184 1.00 25.00 H new ATOM 0 HB2 LEU B 11 -3.473 -4.200 -9.804 1.00 25.00 H new ATOM 0 HB3 LEU B 11 -2.314 -5.433 -9.353 1.00 25.00 H new ATOM 0 HG LEU B 11 -1.926 -3.014 -8.689 1.00 25.00 H new ATOM 0 HD11 LEU B 11 0.565 -3.286 -8.854 1.00 25.00 H new ATOM 0 HD12 LEU B 11 -0.249 -4.779 -8.327 1.00 25.00 H new ATOM 0 HD13 LEU B 11 0.320 -4.621 -10.006 1.00 25.00 H new ATOM 0 HD21 LEU B 11 -0.594 -1.679 -10.199 1.00 25.00 H new ATOM 0 HD22 LEU B 11 -0.928 -2.848 -11.498 1.00 25.00 H new ATOM 0 HD23 LEU B 11 -2.264 -1.933 -10.759 1.00 25.00 H new ATOM 492 N VAL B 12 -0.884 -6.931 -11.277 1.00 25.00 N ATOM 493 CA VAL B 12 0.374 -7.633 -11.453 1.00 25.00 C ATOM 494 C VAL B 12 0.592 -7.885 -12.970 1.00 25.00 C ATOM 495 O VAL B 12 1.670 -7.674 -13.510 1.00 25.00 O ATOM 496 CB VAL B 12 0.387 -9.027 -10.653 1.00 25.00 C ATOM 497 CG1 VAL B 12 1.742 -9.732 -10.828 1.00 25.00 C ATOM 498 CG2 VAL B 12 0.062 -8.811 -9.182 1.00 25.00 C ATOM 0 H VAL B 12 -1.569 -7.439 -10.717 1.00 25.00 H new ATOM 0 HA VAL B 12 1.181 -7.020 -11.051 1.00 25.00 H new ATOM 0 HB VAL B 12 -0.386 -9.673 -11.069 1.00 25.00 H new ATOM 0 HG11 VAL B 12 1.735 -10.674 -10.280 1.00 25.00 H new ATOM 0 HG12 VAL B 12 1.916 -9.928 -11.886 1.00 25.00 H new ATOM 0 HG13 VAL B 12 2.537 -9.094 -10.442 1.00 25.00 H new ATOM 0 HG21 VAL B 12 0.077 -9.769 -8.662 1.00 25.00 H new ATOM 0 HG22 VAL B 12 0.804 -8.146 -8.739 1.00 25.00 H new ATOM 0 HG23 VAL B 12 -0.928 -8.363 -9.090 1.00 25.00 H new ATOM 508 N GLU B 13 -0.466 -8.359 -13.608 1.00 25.00 N ATOM 509 CA GLU B 13 -0.451 -8.666 -15.014 1.00 25.00 C ATOM 510 C GLU B 13 -0.097 -7.442 -15.867 1.00 25.00 C ATOM 511 O GLU B 13 0.757 -7.509 -16.746 1.00 25.00 O ATOM 512 CB GLU B 13 -1.825 -9.233 -15.448 1.00 25.00 C ATOM 513 CG GLU B 13 -1.826 -9.798 -16.876 1.00 25.00 C ATOM 514 CD GLU B 13 -3.171 -10.422 -17.246 1.00 25.00 C ATOM 515 OE1 GLU B 13 -4.127 -10.424 -16.496 1.00 25.00 O ATOM 516 OE2 GLU B 13 -3.199 -10.902 -18.456 1.00 25.00 O ATOM 0 H GLU B 13 -1.361 -8.540 -13.154 1.00 25.00 H new ATOM 0 HA GLU B 13 0.323 -9.416 -15.177 1.00 25.00 H new ATOM 0 HB2 GLU B 13 -2.121 -10.019 -14.754 1.00 25.00 H new ATOM 0 HB3 GLU B 13 -2.575 -8.445 -15.376 1.00 25.00 H new ATOM 0 HG2 GLU B 13 -1.590 -9.001 -17.581 1.00 25.00 H new ATOM 0 HG3 GLU B 13 -1.041 -10.548 -16.969 1.00 25.00 H new ATOM 524 N ALA B 14 -0.694 -6.291 -15.561 1.00 25.00 N ATOM 525 CA ALA B 14 -0.467 -5.086 -16.355 1.00 25.00 C ATOM 526 C ALA B 14 0.897 -4.500 -16.070 1.00 25.00 C ATOM 527 O ALA B 14 1.580 -4.015 -16.969 1.00 25.00 O ATOM 528 CB ALA B 14 -1.629 -4.042 -16.137 1.00 25.00 C ATOM 0 H ALA B 14 -1.333 -6.168 -14.776 1.00 25.00 H new ATOM 0 HA ALA B 14 -0.479 -5.358 -17.410 1.00 25.00 H new ATOM 0 HB1 ALA B 14 -1.437 -3.153 -16.739 1.00 25.00 H new ATOM 0 HB2 ALA B 14 -2.578 -4.486 -16.437 1.00 25.00 H new ATOM 0 HB3 ALA B 14 -1.676 -3.764 -15.084 1.00 25.00 H new ATOM 534 N LEU B 15 1.339 -4.616 -14.824 1.00 25.00 N ATOM 535 CA LEU B 15 2.693 -4.164 -14.528 1.00 25.00 C ATOM 536 C LEU B 15 3.743 -4.996 -15.249 1.00 25.00 C ATOM 537 O LEU B 15 4.647 -4.435 -15.904 1.00 25.00 O ATOM 538 CB LEU B 15 2.945 -4.210 -13.036 1.00 25.00 C ATOM 539 CG LEU B 15 4.286 -3.622 -12.593 1.00 25.00 C ATOM 540 CD1 LEU B 15 4.409 -2.144 -12.890 1.00 25.00 C ATOM 541 CD2 LEU B 15 4.419 -3.851 -11.066 1.00 25.00 C ATOM 0 H LEU B 15 0.813 -4.998 -14.038 1.00 25.00 H new ATOM 0 HA LEU B 15 2.776 -3.138 -14.885 1.00 25.00 H new ATOM 0 HB2 LEU B 15 2.143 -3.672 -12.530 1.00 25.00 H new ATOM 0 HB3 LEU B 15 2.892 -5.247 -12.705 1.00 25.00 H new ATOM 0 HG LEU B 15 5.079 -4.119 -13.151 1.00 25.00 H new ATOM 0 HD11 LEU B 15 5.381 -1.785 -12.553 1.00 25.00 H new ATOM 0 HD12 LEU B 15 4.314 -1.979 -13.963 1.00 25.00 H new ATOM 0 HD13 LEU B 15 3.621 -1.601 -12.368 1.00 25.00 H new ATOM 0 HD21 LEU B 15 5.367 -3.442 -10.718 1.00 25.00 H new ATOM 0 HD22 LEU B 15 3.598 -3.353 -10.550 1.00 25.00 H new ATOM 0 HD23 LEU B 15 4.385 -4.920 -10.854 1.00 25.00 H new ATOM 553 N TYR B 16 3.603 -6.309 -15.237 1.00 25.00 N ATOM 554 CA TYR B 16 4.528 -7.209 -15.952 1.00 25.00 C ATOM 555 C TYR B 16 4.547 -6.888 -17.434 1.00 25.00 C ATOM 556 O TYR B 16 5.581 -6.847 -18.055 1.00 25.00 O ATOM 557 CB TYR B 16 4.110 -8.679 -15.718 1.00 25.00 C ATOM 558 CG TYR B 16 5.057 -9.659 -16.312 1.00 25.00 C ATOM 559 CD1 TYR B 16 6.366 -9.876 -15.776 1.00 25.00 C ATOM 560 CD2 TYR B 16 4.700 -10.419 -17.436 1.00 25.00 C ATOM 561 CE1 TYR B 16 7.233 -10.814 -16.324 1.00 25.00 C ATOM 562 CE2 TYR B 16 5.601 -11.387 -18.007 1.00 25.00 C ATOM 563 CZ TYR B 16 6.861 -11.568 -17.418 1.00 25.00 C ATOM 564 OH TYR B 16 7.781 -12.426 -17.914 1.00 25.00 O ATOM 0 H TYR B 16 2.855 -6.792 -14.739 1.00 25.00 H new ATOM 0 HA TYR B 16 5.536 -7.062 -15.563 1.00 25.00 H new ATOM 0 HB2 TYR B 16 4.033 -8.862 -14.646 1.00 25.00 H new ATOM 0 HB3 TYR B 16 3.118 -8.840 -16.141 1.00 25.00 H new ATOM 0 HD1 TYR B 16 6.688 -9.296 -14.924 1.00 25.00 H new ATOM 0 HD2 TYR B 16 3.728 -10.275 -17.883 1.00 25.00 H new ATOM 0 HE1 TYR B 16 8.211 -10.955 -15.888 1.00 25.00 H new ATOM 0 HE2 TYR B 16 5.311 -11.963 -18.873 1.00 25.00 H new ATOM 0 HH TYR B 16 7.403 -12.902 -18.683 1.00 25.00 H new ATOM 574 N LEU B 17 3.365 -6.630 -17.967 1.00 25.00 N ATOM 575 CA LEU B 17 3.279 -6.256 -19.378 1.00 25.00 C ATOM 576 C LEU B 17 4.044 -4.946 -19.711 1.00 25.00 C ATOM 577 O LEU B 17 4.834 -4.938 -20.677 1.00 25.00 O ATOM 578 CB LEU B 17 1.802 -6.096 -19.799 1.00 25.00 C ATOM 579 CG LEU B 17 1.000 -7.395 -19.957 1.00 25.00 C ATOM 580 CD1 LEU B 17 -0.492 -7.076 -20.113 1.00 25.00 C ATOM 581 CD2 LEU B 17 1.478 -8.173 -21.180 1.00 25.00 C ATOM 0 H LEU B 17 2.476 -6.669 -17.469 1.00 25.00 H new ATOM 0 HA LEU B 17 3.752 -7.064 -19.936 1.00 25.00 H new ATOM 0 HB2 LEU B 17 1.301 -5.471 -19.060 1.00 25.00 H new ATOM 0 HB3 LEU B 17 1.772 -5.557 -20.746 1.00 25.00 H new ATOM 0 HG LEU B 17 1.153 -8.002 -19.065 1.00 25.00 H new ATOM 0 HD11 LEU B 17 -1.053 -8.004 -20.224 1.00 25.00 H new ATOM 0 HD12 LEU B 17 -0.844 -6.543 -19.230 1.00 25.00 H new ATOM 0 HD13 LEU B 17 -0.641 -6.454 -20.996 1.00 25.00 H new ATOM 0 HD21 LEU B 17 0.898 -9.091 -21.277 1.00 25.00 H new ATOM 0 HD22 LEU B 17 1.344 -7.564 -22.074 1.00 25.00 H new ATOM 0 HD23 LEU B 17 2.533 -8.421 -21.064 1.00 25.00 H new ATOM 593 N VAL B 18 3.828 -3.858 -18.976 1.00 25.00 N ATOM 594 CA VAL B 18 4.527 -2.579 -19.292 1.00 25.00 C ATOM 595 C VAL B 18 6.042 -2.622 -18.915 1.00 25.00 C ATOM 596 O VAL B 18 6.870 -1.955 -19.580 1.00 25.00 O ATOM 597 CB VAL B 18 3.767 -1.376 -18.660 1.00 25.00 C ATOM 598 CG1 VAL B 18 3.957 -1.266 -17.114 1.00 25.00 C ATOM 599 CG2 VAL B 18 4.199 -0.011 -19.307 1.00 25.00 C ATOM 0 H VAL B 18 3.196 -3.817 -18.176 1.00 25.00 H new ATOM 0 HA VAL B 18 4.510 -2.438 -20.373 1.00 25.00 H new ATOM 0 HB VAL B 18 2.715 -1.574 -18.865 1.00 25.00 H new ATOM 0 HG11 VAL B 18 3.401 -0.407 -16.739 1.00 25.00 H new ATOM 0 HG12 VAL B 18 3.588 -2.174 -16.637 1.00 25.00 H new ATOM 0 HG13 VAL B 18 5.015 -1.141 -16.885 1.00 25.00 H new ATOM 0 HG21 VAL B 18 3.647 0.804 -18.839 1.00 25.00 H new ATOM 0 HG22 VAL B 18 5.268 0.141 -19.156 1.00 25.00 H new ATOM 0 HG23 VAL B 18 3.983 -0.030 -20.375 1.00 25.00 H new ATOM 609 N CYS B 19 6.423 -3.378 -17.915 1.00 25.00 N ATOM 610 CA CYS B 19 7.816 -3.445 -17.521 1.00 25.00 C ATOM 611 C CYS B 19 8.594 -4.330 -18.508 1.00 25.00 C ATOM 612 O CYS B 19 9.725 -4.007 -18.893 1.00 25.00 O ATOM 613 CB CYS B 19 7.913 -4.035 -16.106 1.00 25.00 C ATOM 614 SG CYS B 19 8.625 -2.966 -14.807 1.00 25.00 S ATOM 0 H CYS B 19 5.793 -3.956 -17.358 1.00 25.00 H new ATOM 0 HA CYS B 19 8.246 -2.443 -17.529 1.00 25.00 H new ATOM 0 HB2 CYS B 19 6.911 -4.328 -15.792 1.00 25.00 H new ATOM 0 HB3 CYS B 19 8.509 -4.946 -16.159 1.00 25.00 H new ATOM 619 N GLY B 20 7.958 -5.421 -18.897 1.00 25.00 N ATOM 620 CA GLY B 20 8.529 -6.431 -19.782 1.00 25.00 C ATOM 621 C GLY B 20 9.006 -7.708 -19.081 1.00 25.00 C ATOM 622 O GLY B 20 8.821 -7.900 -17.874 1.00 25.00 O ATOM 0 H GLY B 20 7.006 -5.638 -18.601 1.00 25.00 H new ATOM 0 HA2 GLY B 20 7.783 -6.701 -20.530 1.00 25.00 H new ATOM 0 HA3 GLY B 20 9.371 -5.991 -20.316 1.00 25.00 H new ATOM 626 N GLU B 21 9.688 -8.600 -19.806 1.00 25.00 N ATOM 627 CA GLU B 21 10.099 -9.863 -19.151 1.00 25.00 C ATOM 628 C GLU B 21 11.166 -9.662 -18.086 1.00 25.00 C ATOM 629 O GLU B 21 11.387 -10.573 -17.262 1.00 25.00 O ATOM 630 CB GLU B 21 10.638 -10.835 -20.185 1.00 25.00 C ATOM 631 CG GLU B 21 9.613 -11.244 -21.257 1.00 25.00 C ATOM 632 CD GLU B 21 10.217 -12.097 -22.309 1.00 25.00 C ATOM 633 OE1 GLU B 21 10.646 -11.686 -23.322 1.00 25.00 O ATOM 634 OE2 GLU B 21 10.440 -13.336 -21.886 1.00 25.00 O ATOM 0 H GLU B 21 9.957 -8.493 -20.784 1.00 25.00 H new ATOM 0 HA GLU B 21 9.206 -10.258 -18.666 1.00 25.00 H new ATOM 0 HB2 GLU B 21 11.501 -10.385 -20.676 1.00 25.00 H new ATOM 0 HB3 GLU B 21 10.992 -11.731 -19.676 1.00 25.00 H new ATOM 0 HG2 GLU B 21 8.789 -11.780 -20.785 1.00 25.00 H new ATOM 0 HG3 GLU B 21 9.191 -10.349 -21.714 1.00 25.00 H new ATOM 642 N ARG B 22 11.823 -8.508 -18.119 1.00 25.00 N ATOM 643 CA ARG B 22 12.842 -8.153 -17.113 1.00 25.00 C ATOM 644 C ARG B 22 12.311 -8.020 -15.685 1.00 25.00 C ATOM 645 O ARG B 22 13.052 -7.988 -14.742 1.00 25.00 O ATOM 646 CB ARG B 22 13.529 -6.824 -17.531 1.00 25.00 C ATOM 647 CG ARG B 22 12.564 -5.699 -17.970 1.00 25.00 C ATOM 648 CD ARG B 22 12.678 -5.382 -19.490 1.00 25.00 C ATOM 649 NE ARG B 22 13.795 -4.475 -19.777 1.00 25.00 N ATOM 650 CZ ARG B 22 14.162 -4.069 -20.985 1.00 25.00 C ATOM 651 NH1 ARG B 22 13.557 -4.434 -22.070 1.00 25.00 N ATOM 652 NH2 ARG B 22 15.145 -3.215 -21.092 1.00 25.00 N ATOM 0 H ARG B 22 11.674 -7.793 -18.831 1.00 25.00 H new ATOM 0 HA ARG B 22 13.547 -8.984 -17.093 1.00 25.00 H new ATOM 0 HB2 ARG B 22 14.127 -6.463 -16.694 1.00 25.00 H new ATOM 0 HB3 ARG B 22 14.218 -7.031 -18.350 1.00 25.00 H new ATOM 0 HG2 ARG B 22 11.540 -5.991 -17.738 1.00 25.00 H new ATOM 0 HG3 ARG B 22 12.776 -4.797 -17.396 1.00 25.00 H new ATOM 0 HD2 ARG B 22 12.812 -6.310 -20.045 1.00 25.00 H new ATOM 0 HD3 ARG B 22 11.747 -4.934 -19.838 1.00 25.00 H new ATOM 0 HE ARG B 22 14.333 -4.129 -18.983 1.00 25.00 H new ATOM 0 HH11 ARG B 22 12.756 -5.064 -22.020 1.00 25.00 H new ATOM 0 HH12 ARG B 22 13.881 -4.092 -22.974 1.00 25.00 H new ATOM 0 HH21 ARG B 22 15.616 -2.872 -20.255 1.00 25.00 H new ATOM 0 HH22 ARG B 22 15.441 -2.891 -22.013 1.00 25.00 H new ATOM 666 N GLY B 23 10.994 -7.961 -15.546 1.00 25.00 N ATOM 667 CA GLY B 23 10.392 -7.907 -14.210 1.00 25.00 C ATOM 668 C GLY B 23 10.540 -6.600 -13.492 1.00 25.00 C ATOM 669 O GLY B 23 10.985 -5.604 -14.043 1.00 25.00 O ATOM 0 H GLY B 23 10.329 -7.949 -16.320 1.00 25.00 H new ATOM 0 HA2 GLY B 23 9.330 -8.135 -14.299 1.00 25.00 H new ATOM 0 HA3 GLY B 23 10.837 -8.691 -13.597 1.00 25.00 H new ATOM 673 N PHE B 24 10.137 -6.610 -12.220 1.00 25.00 N ATOM 674 CA PHE B 24 10.124 -5.430 -11.361 1.00 25.00 C ATOM 675 C PHE B 24 10.499 -5.917 -9.957 1.00 25.00 C ATOM 676 O PHE B 24 10.438 -7.102 -9.669 1.00 25.00 O ATOM 677 CB PHE B 24 8.701 -4.794 -11.357 1.00 25.00 C ATOM 678 CG PHE B 24 7.594 -5.774 -11.026 1.00 25.00 C ATOM 679 CD1 PHE B 24 7.242 -5.994 -9.681 1.00 25.00 C ATOM 680 CD2 PHE B 24 6.883 -6.422 -12.027 1.00 25.00 C ATOM 681 CE1 PHE B 24 6.174 -6.916 -9.345 1.00 25.00 C ATOM 682 CE2 PHE B 24 5.832 -7.353 -11.709 1.00 25.00 C ATOM 683 CZ PHE B 24 5.485 -7.600 -10.349 1.00 25.00 C ATOM 0 H PHE B 24 9.805 -7.454 -11.752 1.00 25.00 H new ATOM 0 HA PHE B 24 10.822 -4.670 -11.711 1.00 25.00 H new ATOM 0 HB2 PHE B 24 8.680 -3.979 -10.634 1.00 25.00 H new ATOM 0 HB3 PHE B 24 8.506 -4.357 -12.336 1.00 25.00 H new ATOM 0 HD1 PHE B 24 7.770 -5.474 -8.895 1.00 25.00 H new ATOM 0 HD2 PHE B 24 7.122 -6.224 -13.061 1.00 25.00 H new ATOM 0 HE1 PHE B 24 5.909 -7.075 -8.310 1.00 25.00 H new ATOM 0 HE2 PHE B 24 5.306 -7.865 -12.502 1.00 25.00 H new ATOM 0 HZ PHE B 24 4.704 -8.303 -10.099 1.00 25.00 H new ATOM 693 N PHE B 25 10.820 -4.986 -9.097 1.00 25.00 N ATOM 694 CA PHE B 25 11.150 -5.285 -7.702 1.00 25.00 C ATOM 695 C PHE B 25 10.121 -4.636 -6.797 1.00 25.00 C ATOM 696 O PHE B 25 9.316 -3.869 -7.284 1.00 25.00 O ATOM 697 CB PHE B 25 12.557 -4.735 -7.379 1.00 25.00 C ATOM 698 CG PHE B 25 13.594 -5.809 -7.314 1.00 25.00 C ATOM 699 CD1 PHE B 25 13.831 -6.679 -8.435 1.00 25.00 C ATOM 700 CD2 PHE B 25 14.353 -5.959 -6.151 1.00 25.00 C ATOM 701 CE1 PHE B 25 14.816 -7.690 -8.339 1.00 25.00 C ATOM 702 CE2 PHE B 25 15.371 -6.938 -6.078 1.00 25.00 C ATOM 703 CZ PHE B 25 15.586 -7.808 -7.162 1.00 25.00 C ATOM 0 H PHE B 25 10.864 -3.994 -9.331 1.00 25.00 H new ATOM 0 HA PHE B 25 11.143 -6.363 -7.542 1.00 25.00 H new ATOM 0 HB2 PHE B 25 12.841 -4.006 -8.138 1.00 25.00 H new ATOM 0 HB3 PHE B 25 12.526 -4.207 -6.426 1.00 25.00 H new ATOM 0 HD1 PHE B 25 13.260 -6.561 -9.344 1.00 25.00 H new ATOM 0 HD2 PHE B 25 14.161 -5.322 -5.300 1.00 25.00 H new ATOM 0 HE1 PHE B 25 14.978 -8.369 -9.163 1.00 25.00 H new ATOM 0 HE2 PHE B 25 15.982 -7.017 -5.191 1.00 25.00 H new ATOM 0 HZ PHE B 25 16.346 -8.572 -7.093 1.00 25.00 H new ATOM 713 N TYR B 26 10.157 -4.958 -5.494 1.00 25.00 N ATOM 714 CA TYR B 26 9.171 -4.511 -4.487 1.00 25.00 C ATOM 715 C TYR B 26 9.444 -3.078 -3.984 1.00 25.00 C ATOM 716 O TYR B 26 9.041 -2.727 -2.885 1.00 25.00 O ATOM 717 CB TYR B 26 9.204 -5.471 -3.295 1.00 25.00 C ATOM 718 CG TYR B 26 7.860 -6.005 -2.936 1.00 25.00 C ATOM 719 CD1 TYR B 26 6.783 -5.131 -2.680 1.00 25.00 C ATOM 720 CD2 TYR B 26 7.604 -7.389 -2.818 1.00 25.00 C ATOM 721 CE1 TYR B 26 5.488 -5.603 -2.336 1.00 25.00 C ATOM 722 CE2 TYR B 26 6.293 -7.867 -2.493 1.00 25.00 C ATOM 723 CZ TYR B 26 5.246 -6.958 -2.238 1.00 25.00 C ATOM 724 OH TYR B 26 3.996 -7.381 -1.912 1.00 25.00 O ATOM 0 H TYR B 26 10.888 -5.550 -5.099 1.00 25.00 H new ATOM 0 HA TYR B 26 8.192 -4.510 -4.966 1.00 25.00 H new ATOM 0 HB2 TYR B 26 9.869 -6.303 -3.525 1.00 25.00 H new ATOM 0 HB3 TYR B 26 9.625 -4.955 -2.432 1.00 25.00 H new ATOM 0 HD1 TYR B 26 6.949 -4.066 -2.748 1.00 25.00 H new ATOM 0 HD2 TYR B 26 8.406 -8.095 -2.975 1.00 25.00 H new ATOM 0 HE1 TYR B 26 4.690 -4.899 -2.151 1.00 25.00 H new ATOM 0 HE2 TYR B 26 6.106 -8.929 -2.443 1.00 25.00 H new ATOM 0 HH TYR B 26 3.979 -8.360 -1.882 1.00 25.00 H new ATOM 734 N THR B 27 10.164 -2.321 -4.779 1.00 25.00 N ATOM 735 CA THR B 27 10.678 -0.979 -4.510 1.00 25.00 C ATOM 736 C THR B 27 11.846 -0.932 -3.513 1.00 25.00 C ATOM 737 O THR B 27 12.057 -1.825 -2.730 1.00 25.00 O ATOM 738 CB THR B 27 9.607 0.057 -4.118 1.00 25.00 C ATOM 739 OG1 THR B 27 9.142 -0.171 -2.797 1.00 25.00 O ATOM 740 CG2 THR B 27 8.413 0.006 -5.070 1.00 25.00 C ATOM 0 H THR B 27 10.432 -2.645 -5.708 1.00 25.00 H new ATOM 0 HA THR B 27 11.067 -0.687 -5.486 1.00 25.00 H new ATOM 0 HB THR B 27 10.076 1.039 -4.179 1.00 25.00 H new ATOM 0 HG1 THR B 27 9.352 -1.090 -2.530 1.00 25.00 H new ATOM 0 HG21 THR B 27 7.674 0.748 -4.767 1.00 25.00 H new ATOM 0 HG22 THR B 27 8.748 0.220 -6.085 1.00 25.00 H new ATOM 0 HG23 THR B 27 7.964 -0.987 -5.038 1.00 25.00 H new ATOM 748 N LYS B 28 12.610 0.141 -3.608 1.00 25.00 N ATOM 749 CA LYS B 28 13.718 0.334 -2.679 1.00 25.00 C ATOM 750 C LYS B 28 13.213 1.221 -1.549 1.00 25.00 C ATOM 751 O LYS B 28 12.601 2.222 -1.821 1.00 25.00 O ATOM 752 CB LYS B 28 14.881 1.101 -3.349 1.00 25.00 C ATOM 753 CG LYS B 28 15.581 0.406 -4.488 1.00 25.00 C ATOM 754 CD LYS B 28 16.683 1.216 -5.054 1.00 25.00 C ATOM 755 CE LYS B 28 17.843 1.359 -4.038 1.00 25.00 C ATOM 756 NZ LYS B 28 18.864 2.234 -4.638 1.00 25.00 N ATOM 0 H LYS B 28 12.492 0.880 -4.301 1.00 25.00 H new ATOM 0 HA LYS B 28 14.067 -0.642 -2.341 1.00 25.00 H new ATOM 0 HB2 LYS B 28 14.495 2.052 -3.716 1.00 25.00 H new ATOM 0 HB3 LYS B 28 15.622 1.332 -2.584 1.00 25.00 H new ATOM 0 HG2 LYS B 28 15.977 -0.548 -4.139 1.00 25.00 H new ATOM 0 HG3 LYS B 28 14.858 0.183 -5.273 1.00 25.00 H new ATOM 0 HD2 LYS B 28 17.050 0.749 -5.968 1.00 25.00 H new ATOM 0 HD3 LYS B 28 16.310 2.203 -5.328 1.00 25.00 H new ATOM 0 HE2 LYS B 28 17.480 1.782 -3.101 1.00 25.00 H new ATOM 0 HE3 LYS B 28 18.267 0.383 -3.803 1.00 25.00 H new ATOM 0 HZ1 LYS B 28 19.657 2.348 -3.975 1.00 25.00 H new ATOM 0 HZ2 LYS B 28 19.210 1.809 -5.522 1.00 25.00 H new ATOM 0 HZ3 LYS B 28 18.447 3.165 -4.842 1.00 25.00 H new ATOM 770 N PRO B 29 13.596 0.928 -0.278 1.00 25.00 N ATOM 771 CA PRO B 29 13.372 1.951 0.761 1.00 25.00 C ATOM 772 C PRO B 29 14.342 3.131 0.594 1.00 25.00 C ATOM 773 O PRO B 29 15.540 2.948 0.641 1.00 25.00 O ATOM 774 CB PRO B 29 13.636 1.163 2.053 1.00 25.00 C ATOM 775 CG PRO B 29 14.548 0.071 1.684 1.00 25.00 C ATOM 776 CD PRO B 29 14.317 -0.254 0.230 1.00 25.00 C ATOM 0 HA PRO B 29 12.382 2.406 0.732 1.00 25.00 H new ATOM 0 HB2 PRO B 29 14.081 1.802 2.815 1.00 25.00 H new ATOM 0 HB3 PRO B 29 12.707 0.772 2.468 1.00 25.00 H new ATOM 0 HG2 PRO B 29 15.584 0.367 1.849 1.00 25.00 H new ATOM 0 HG3 PRO B 29 14.364 -0.806 2.305 1.00 25.00 H new ATOM 0 HD2 PRO B 29 15.256 -0.409 -0.300 1.00 25.00 H new ATOM 0 HD3 PRO B 29 13.729 -1.164 0.111 1.00 25.00 H new ATOM 784 N THR B 30 13.789 4.283 0.253 1.00 25.00 N ATOM 785 CA THR B 30 14.614 5.421 -0.098 1.00 25.00 C ATOM 786 C THR B 30 13.826 6.706 0.003 1.00 25.00 C ATOM 787 O THR B 30 12.665 6.805 -0.279 1.00 25.00 O ATOM 788 CB THR B 30 15.246 5.231 -1.521 1.00 25.00 C ATOM 789 OG1 THR B 30 16.185 6.268 -1.791 1.00 25.00 O ATOM 790 CG2 THR B 30 14.245 5.141 -2.649 1.00 25.00 C ATOM 791 OXT THR B 30 14.527 7.679 0.565 1.00 25.00 O ATOM 0 H THR B 30 12.784 4.452 0.213 1.00 25.00 H new ATOM 0 HA THR B 30 15.435 5.488 0.616 1.00 25.00 H new ATOM 0 HB THR B 30 15.745 4.262 -1.485 1.00 25.00 H new ATOM 0 HG1 THR B 30 16.572 6.135 -2.681 1.00 25.00 H new ATOM 0 HG21 THR B 30 14.772 5.011 -3.594 1.00 25.00 H new ATOM 0 HG22 THR B 30 13.584 4.291 -2.482 1.00 25.00 H new ATOM 0 HG23 THR B 30 13.655 6.057 -2.686 1.00 25.00 H new TER 800 THR B 30